Glycoside
GD117098
Name:
1-(2,4-dihydroxyphenyl)-3-(4-{[6-(hydroxymethyl)-6'-methyl-[2,2'-bioxane]-3,3',4,4',5,5'-hexyl]oxy}phenyl)prop-2-en-1-oneFormula:
C27H32O13Smiles:
CC1OC(C2(Oc3ccc(C=CC(=O)c4ccc(O)cc4O)cc3)OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=C(C=Cc1ccc(O)cc1)c1ccc(O)cc1OSugarmoiety:
CC1OC(C2(O)OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.44 |
| AlogP: | -1.59 | Num_rotatable_bonds: | 7 |
| MolWt: | 564.54 | Num_heavy_atoms: | 40 |
| TPSA: | 226.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD01876
Formula: C15H12O4
Smiles:
O=C(C=Cc1ccc(O)cc1)c1ccc(O)cc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 3 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
